Molecular simulation study of interactions of carbon dioxide and water with ionic liquids

被引:94
作者
Deschamps, J [1 ]
Gomes, MFC [1 ]
Pádua, AAH [1 ]
机构
[1] Univ Clermont Ferrand, CNRS, UMR 6003, Lab Thermodynam Solut & Polymers, F-63177 Clermont Ferrand, France
关键词
carbon dioxide; ionic liquids; molecular simulation; solvent effects; water;
D O I
10.1002/cphc.200400097
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Simulating solubilities in green solvents: Molecular simulations have been used to predict qualitatively the solubility of several small molecules (see picture) in imidazolium-based ionic liquids.
引用
收藏
页码:1049 / 1052
页数:4
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